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Caesium in PDB 1sk2: Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli

Enzymatic activity of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli

All present enzymatic activity of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli:
1.20.4.1;

Protein crystallography data

The structure of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli, PDB code: 1sk2 was solved by S.Demel, B.F.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.54
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 86.440, 86.440, 116.450, 90.00, 90.00, 120.00
R / Rfree (%) 18.6 / 23

Caesium Binding Sites:

The binding sites of Caesium atom in the Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli (pdb code 1sk2). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli, PDB code: 1sk2:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 1sk2

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Caesium binding site 1 out of 4 in the Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs401

b:16.6
occ:0.49
O A:LEU113 3.1 18.1 1.0
O A:LEU116 3.2 16.6 1.0
O A:HOH1026 3.2 16.7 1.0
O A:ASP114 3.2 17.0 1.0
C A:ASP114 3.8 18.5 1.0
O A:HOH1006 4.2 16.6 1.0
C A:LEU116 4.3 15.4 1.0
CA A:ASP114 4.3 12.6 1.0
C A:LEU113 4.3 19.0 1.0
CD1 A:LEU101 4.5 16.7 1.0
N A:LEU116 4.6 14.6 1.0
N A:ILE115 4.6 13.3 1.0
N A:ASP114 4.8 12.7 1.0
C A:ILE115 4.9 14.1 1.0
CA A:ILE115 5.0 13.7 1.0

Caesium binding site 2 out of 4 in 1sk2

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Caesium binding site 2 out of 4 in the Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs402

b:59.6
occ:0.34
O A:PRO38 3.0 33.0 1.0
O A:HOH1089 3.2 32.5 1.0
OE1 A:GLU43 3.3 17.5 0.4
O A:HOH1110 3.4 50.6 1.0
N A:SER40 3.6 22.4 1.0
C A:PRO39 3.8 28.4 1.0
CA A:PRO39 3.9 31.7 1.0
C A:PRO38 4.0 37.1 1.0
CD A:GLU43 4.2 34.4 0.4
OE2 A:GLU43 4.2 31.5 0.4
O A:HOH1082 4.3 28.7 1.0
N A:PRO39 4.4 39.7 1.0
CB A:SER40 4.5 23.9 1.0
CA A:SER40 4.5 26.4 1.0
O A:HOH1263 4.5 39.8 1.0
O A:PRO39 4.7 29.4 1.0
O A:HOH1195 4.9 85.6 1.0

Caesium binding site 3 out of 4 in 1sk2

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Caesium binding site 3 out of 4 in the Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs404

b:80.6
occ:0.40
O A:HOH1078 2.5 33.9 1.0
O A:GLU135 2.9 30.0 1.0
O A:HOH1033 3.7 23.1 1.0
O A:HOH1173 3.7 60.7 1.0
O A:GLN120 3.9 16.9 1.0
O A:LYS121 3.9 30.6 1.0
C A:GLU135 4.0 23.4 1.0
O A:HOH1196 4.0 47.6 1.0
CA A:GLY122 4.1 21.3 1.0
C A:LYS121 4.1 27.3 1.0
N A:GLY122 4.2 22.7 1.0
C A:ALA136 4.3 27.0 1.0
O A:ALA136 4.3 27.9 1.0
O A:HOH1188 4.3 49.9 1.0
N A:GLY137 4.4 21.9 1.0
CA A:GLY137 4.6 21.0 1.0
OE1 A:GLU135 4.7 52.5 0.4
CA A:ALA136 4.7 27.1 1.0
C A:GLY122 4.7 26.2 1.0
N A:ALA136 4.8 27.4 1.0
OE1 A:GLU135 4.9 63.3 0.6
CA A:GLU135 4.9 23.2 1.0
CA A:LYS121 4.9 19.6 1.0
C A:GLN120 4.9 14.4 1.0
CD A:GLU135 5.0 43.6 0.4

Caesium binding site 4 out of 4 in 1sk2

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Caesium binding site 4 out of 4 in the Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Arsenate Reductase R60A Mutant +0.4M Arsenate From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs405

b:23.4
occ:0.40
O A:HOH1189 2.4 69.4 1.0
O A:HOH1041 3.2 19.7 1.0
O A:HOH1040 3.3 18.2 1.0
OD2 A:ASP128 3.5 23.8 1.0
O A:HOH1095 3.6 42.7 1.0
O A:HOH1024 3.6 18.6 1.0
O A:HOH1002 4.3 16.7 1.0
CG A:ASP128 4.3 22.1 1.0
O A:HOH1064 4.5 33.2 1.0
O A:HOH1131 4.7 46.7 1.0
O A:HOH1178 4.7 41.4 1.0
CB A:ASP128 4.7 18.9 1.0
O1 A:SO4203 4.8 18.2 0.8
O1 A:SO4201 4.9 24.2 0.6
O4 A:SO4203 5.0 14.3 0.8

Reference:

S.Demel, J.Shi, P.Martin, B.P.Rosen, B.F.Edwards. Arginine 60 in the Arsc Arsenate Reductase of E. Coli Plasmid R773 Determines the Chemical Nature of the Bound As(III) Product. Protein Sci. V. 13 2330 2004.
ISSN: ISSN 0961-8368
PubMed: 15295115
DOI: 10.1110/PS.04787204
Page generated: Sun Dec 13 10:55:38 2020

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